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MolNFT v1 · #15454 · protein

Crystal structure of the murine class I major histocompatibility complex of H-2KB, B2-microglobulin, and a 9-residue immunodominant peptide epitope GP33 derived from lcmv

1N59 · H-2 class I histocompatibility antigen, K-B alpha chain: “Crystal structure of the murine class I major histocompatibility complex of H-2KB, B2-microglobulin, and a…”. X-ray diffraction, 11 pockets (best druggability 0.65). MolNFT…

PDB
1N59
Type
protein
Length
766 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
H-2 class I histocompatibility antigen, K-B alpha chain; Beta-2-microglobulin; Nonameric…
UniProt
P01901, P01887, Q9QDK7
Pockets
11 · best druggability 0.65

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CH-2 class I histocompatibility antigen, K-B alpha chainprotein27626% helix, 41% strandP01901
B, DBeta-2-microglobulinprotein990% helix, 54% strandP01887
P, QNonameric peptide, GP33 derived from lymphocytic choriomeningitis virusprotein80% helix, 0% strandQ9QDK7

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13220.650.8146empty
23380.610.7839empty
32550.610.8037empty
42220.590.8033empty
52100.560.7926empty

Interfaces

5 interfaces between chains.

  • C–D · 1374 Ų buried · 29 hydrogen bonds · protein-protein
  • A–B · 1373 Ų buried · 28 hydrogen bonds · protein-protein
  • A–P · 853 Ų buried · 13 hydrogen bonds · protein-protein
  • C–Q · 834 Ų buried · 15 hydrogen bonds · protein-protein
  • A–C · 792 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1N59 · Crystal structure of the Murine class I Major Histocompatibility Complex of H-2KB… · the same entry in another collection · chain D against D, TM-score 1.00
  • P01901 · AlphaFold monomer V2.0 prediction for H-2 class I histocompatibility antigen, K-B alpha… · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P01887 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P01887) · a predicted model of the same protein · chain B against A, TM-score 0.97

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